1-[(1-methylcyclobutyl)methyl]piperidine-3-carbaldehyde

C12H21NO — CID 130601547

IUPAC1-[(1-methylcyclobutyl)methyl]piperidine-3-carbaldehyde
SMILESCC1(CN2CCCC(C=O)C2)CCC1
InChIInChI=1S/C12H21NO/c1-12(5-3-6-12)10-13-7-2-4-11(8-13)9-14/h9,11H,2-8,10H2,1H3
InChIKeyVONXWWFAWFQRMB-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.09
Rot. Bonds3

About 1-[(1-methylcyclobutyl)methyl]piperidine-3-carbaldehyde

1-[(1-methylcyclobutyl)methyl]piperidine-3-carbaldehyde (PubChem CID 130601547) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-[(1-methylcyclobutyl)methyl]piperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-[(1-methylcyclobutyl)methyl]piperidine-3-carbaldehyde
PubChem CID130601547
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-[(1-methylcyclobutyl)methyl]piperidine-3-carbaldehyde
SMILESCC1(CN2CCCC(C=O)C2)CCC1
InChIInChI=1S/C12H21NO/c1-12(5-3-6-12)10-13-7-2-4-11(8-13)9-14/h9,11H,2-8,10H2,1H3
InChIKeyVONXWWFAWFQRMB-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carbaldehyde
CID 116523854
2-[(1-methylcyclobutyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 107094604
2-(3-formylpiperidin-1-yl)acetonitrile
CID 62654928
1-decylpiperidine-3-carbaldehyde
CID 55195177
1-(3-fluoropropyl)piperidine-3-carbaldehyde
CID 81114403
1-(2-hydroxy-2-methylbutyl)piperidine-3-carbaldehyde
CID 114496935
2-[(1-methylcyclopentyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939110
1-[2-(1-adamantyl)ethyl]piperidine-3-carbaldehyde
CID 63510161
3-(3-formylpiperidin-1-yl)-N,N-dimethylpropanamide
CID 62654927
N-ethyl-2-(3-formylpiperidin-1-yl)-N-methylacetamide
CID 62655686
1-(5-hydroxypentyl)piperidine-3-carbaldehyde
CID 62654377
1-[1-[(1-methylcyclobutyl)methyl]piperidin-3-yl]piperazin-2-one
CID 120844641

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylcyclobutyl)methyl]piperidine-3-carbaldehyde?
The IUPAC name of 1-[(1-methylcyclobutyl)methyl]piperidine-3-carbaldehyde (CID 130601547) is 1-[(1-methylcyclobutyl)methyl]piperidine-3-carbaldehyde.
What is the SMILES notation for 1-[(1-methylcyclobutyl)methyl]piperidine-3-carbaldehyde?
The canonical SMILES for 1-[(1-methylcyclobutyl)methyl]piperidine-3-carbaldehyde is CC1(CN2CCCC(C=O)C2)CCC1.
What is the InChIKey of 1-[(1-methylcyclobutyl)methyl]piperidine-3-carbaldehyde?
The InChIKey is VONXWWFAWFQRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(5-3-6-12)10-13-7-2-4-11(8-13)9-14/h9,11H,2-8,10H2,1H3.
What are the key properties of 1-[(1-methylcyclobutyl)methyl]piperidine-3-carbaldehyde?
1-[(1-methylcyclobutyl)methyl]piperidine-3-carbaldehyde has a molecular weight of 195.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylcyclobutyl)methyl]piperidine-3-carbaldehyde is sourced from PubChem (CID 130601547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).